[4-(phenylcarbonyl)phenyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [4-(phenylcarbonyl)phenyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-benzoylphenyl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (4-benzoylphenyl) ester IUPAC Name: (4-benzoylphenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (4-benzoylphenyl) ester Formula: C29H26O4S MolecularWeight: 470.57934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H26O4S/c30-27(20-9-3-1-4-10-20)21-15-17-22(18-16-21)32-29(31)28-25(19-34-23-11-5-2-6-12-23)24-13-7-8-14-26(24)33-28/h1,3-4,7-10,13-18,23H,2,5-6,11-12,19H2